| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:32 UTC |
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| Update Date | 2025-03-25 00:53:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202450 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24N3O5+ |
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| Molecular Mass | 362.171 |
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| SMILES | C[N+](C)(C)C(C(=O)O)C(=O)NC(CC(=O)O)Cc1c[nH]c2ccccc12 |
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| InChI Key | NHVATOFZEYZFIS-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | peptidomimetics |
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| Subclass | peptoid-peptide hybrids |
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| Direct Parent | peptoid-peptide hybrids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acid amidesalpha amino acidsaminesazacyclic compoundsbenzenoidsbeta amino acids and derivativescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolessecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidindolealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundpeptoid/peptide hybridalpha-amino acid amidetetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundindole or derivativescarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound1,3-dicarbonyl compoundamineorganooxygen compound |
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